Perturbative triples correction for the equation-of-motion coupled-cluster wave functions with single and double substitutions for ionized states: Theory, implementation, and examples.

Perturbative triples correction for the equation-of-motion coupled-cluster wave functions with single and double substitutions for ionized states: Theory, implementation, and examples.

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http://www.wikidata.org/entity/Q43272031
Theoretical study on low-lying electronic states of Kr2(+), Xe2(+), and Rn2(+).New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculations.Ionization of pyridine: Interplay of orbital relaxation and electron correlation.Coupled-cluster based approach for core-level states in condensed phase: Theory and application to different protonated forms of aqueous glycine.Theoretical study on low-lying states of Ga2X (X = P, As) with coupled-cluster approaches.Tin-carbon clusters and the onset of microscopic level immiscibility: Experimental and computational study.The effect of microhydration on ionization energies of thymine.Non-iterative triple excitations in equation-of-motion coupled-cluster theory for electron attachment with applications to bound and temporary anions.A new scheme for perturbative triples correction to (0,1) sector of Fock space multi-reference coupled cluster method: theory, implementation, and examples.Equation of motion coupled cluster methods for electron attachment and ionization potential in fullerenes C60 and C70.Equation-of-motion coupled-cluster method for ionized states with spin-orbit coupling.A hierarchy of local coupled cluster singles and doubles response methods for ionization potentials.
P2860

Perturbative triples correction for the equation-of-motion coupled-cluster wave functions with single and double substitutions for ionized states: Theory, implementation, and examples.

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http://www.wikidata.org/entity/Q43272031
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Perturbative triples correctio ...... implementation, and examples.
@en
Perturbative triples correctio ...... implementation, and examples.
@nl
type
label
Perturbative triples correctio ...... implementation, and examples.
@en
Perturbative triples correctio ...... implementation, and examples.
@nl
prefLabel
Perturbative triples correctio ...... implementation, and examples.
@en
Perturbative triples correctio ...... implementation, and examples.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698
P356
P1433
P1476
Perturbative triples correctio ...... implementation, and examples.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698